Md Mahbubul Islam

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam et al. · npj Computational Materials · 2016 · 2.2K citations · Full text

Engineering, Mechanical Engineering, Material Simulation +18

ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials

Md Mahbubul Islam, Alireza Ostadhossein, Oleg Borodin et al. · Physical Chemistry Chemical Physics · 2014 · 163 citations

ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition during Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries

Md Mahbubul Islam, Vyacheslav S. Bryantsev, Adri C. T. van Duin · Journal of The Electrochemical Society · 2014 · 120 citations · Full text

Engineering, Electrolyte Decomposition, Chemistry +17

eReaxFF: A Pseudoclassical Treatment of Explicit Electrons within Reactive Force Field Simulations

Md Mahbubul Islam, Grigory Kolesov, Toon Verstraelen et al. · Journal of Chemical Theory and Computation · 2016 · 116 citations · Full text

Engineering, Electron Diffraction, Computational Chemistry +20

Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An eReaxFF Molecular Dynamics Study

Md Mahbubul Islam, Adri C. T. van Duin · The Journal of Physical Chemistry C · 2016 · 96 citations

Engineering, Electrode-electrolyte Interface, Computational Chemistry +21